Geometry & MOs

Info

ID:	229776
PubChem CID:	87568941
Reduced:	O2C12H23 (2)
Stoich.:	A2B12C23 (2)
Weight, g/mol:	225.99115
ΔH_f, kcal/mol:	-272.29
Dipole, Da:	7.51
IP(EA), eV:	-10.39(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,6-trifluorophenyl) methanesulfonate

Drug info:

PubChemData

Smile

CCC(CC)CC(CCCCCCCC(C)C(=O)O)(CC(CC)CC)C(=O)O

DOS

IR

Vibrations